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4-(4-Iodophenyl)but-3-yn-2-one
SpectraBase Compound ID 4fv2MKLTTqA
InChI InChI=1S/C10H7IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,1H3
InChIKey MQBHSZHCODAMGN-UHFFFAOYSA-N
Mol Weight 270.07 g/mol
Molecular Formula C10H7IO
Exact Mass 269.95416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bnwzlj3cPuJ
Name 4-(4-Iodophenyl)but-3-yn-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.954159844 u
Formula C10H7IO
InChI InChI=1S/C10H7IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,1H3
InChIKey MQBHSZHCODAMGN-UHFFFAOYSA-N
Molecular Weight 270.069 g/mol
SMILES C(#CC1=CC=C(C=C1)I)C(=O)C